#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p7c n LYS 2 N 0.00 2.99 -3.28 3.17 5.02 -1.26 -4.75 118.16 120.05 2p7c n LYS 2 Ca 0.00 -2.84 0.03 0.00 -2.02 0.00 0.00 58.31 53.48 2p7c n LYS 2 Cb 0.00 -3.30 -0.02 0.00 -0.02 0.00 0.00 35.03 31.69 2p7c n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2p7c s LYS 3 N 3.15 0.46 -0.26 1.97 2.47 -1.26 -5.14 119.74 121.12 2p7c s LYS 3 Ca 0.48 0.92 -0.24 0.00 -1.56 0.00 0.00 55.97 55.57 2p7c s LYS 3 Cb 0.11 0.53 -0.00 0.00 -1.46 0.00 0.00 37.83 37.01 2p7c s LYS 3 CO -0.05 -0.39 0.83 -1.50 0.16 0.00 0.00 175.35 174.40 2p7c s ILE 4 N 2.84 4.81 0.25 5.43 1.10 -1.26 -4.88 121.20 129.48 2p7c s ILE 4 Ca 0.08 1.47 -0.31 0.00 -0.51 0.00 0.00 60.65 61.38 2p7c s ILE 4 Cb -0.12 -4.14 -0.12 0.00 0.15 0.00 0.00 42.46 38.23 2p7c s ILE 4 CO -0.18 -0.14 1.64 -2.65 -2.11 0.00 0.00 174.94 171.49 2p7c n PRO 5 N 6.11 2.68 -2.50 3.50 -0.02 -1.26 -4.89 135.00 138.62 2p7c n PRO 5 Ca 0.05 0.96 -0.40 0.00 -2.02 0.00 0.00 63.50 62.09 2p7c n PRO 5 Cb 0.48 -2.76 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 2p7c n PRO 5 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2p7c s GLN 6 N 0.24 3.71 0.32 -0.52 2.00 -1.26 -4.96 119.66 119.19 2p7c s GLN 6 Ca 0.69 -1.75 -0.25 0.00 -2.00 0.00 0.00 55.36 52.06 2p7c s GLN 6 Cb -0.52 -5.47 -0.10 0.00 0.80 0.00 0.00 33.01 27.73 2p7c s GLN 6 CO 0.42 -2.51 0.91 0.42 -0.50 0.00 0.00 175.29 174.03 2p7c s ILE 7 N 5.35 4.27 0.00 -2.34 1.01 -1.26 -4.97 121.20 123.26 2p7c s ILE 7 Ca 0.55 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.93 2p7c s ILE 7 Cb 0.03 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2p7c s ILE 7 CO 0.06 0.11 0.00 -1.54 0.00 0.00 0.00 174.94 173.58 2p7c n SER 8 N 0.49 0.50 -0.04 3.58 3.41 -1.26 -4.99 113.62 115.30 2p7c n SER 8 Ca 0.02 -0.93 -0.10 0.00 -0.26 0.00 0.00 58.87 57.60 2p7c n SER 8 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 2p7c n SER 8 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2p7c h ASP 9 N 0.00 0.23 -0.62 4.04 3.58 -1.99 -2.60 116.42 119.06 2p7c h ASP 9 Ca 0.00 -0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.39 2p7c h ASP 9 Cb 0.00 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2p7c h ASP 9 CO 0.00 0.23 0.40 0.00 -2.88 0.00 0.00 179.24 177.00 2p7c h ALA 10 N 1.01 0.79 0.19 -0.78 0.00 -1.99 -0.19 119.26 118.29 2p7c h ALA 10 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2p7c h ALA 10 Cb 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2p7c h ALA 10 CO -0.01 0.20 -0.09 1.49 0.00 0.00 0.00 179.25 180.84 2p7c h GLU 11 N 0.82 -0.24 -0.78 0.00 4.81 -1.92 -3.20 114.58 114.07 2p7c h GLU 11 Ca 0.23 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2p7c h GLU 11 Cb -0.07 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2p7c h GLU 11 CO -0.06 0.01 0.41 1.25 -0.73 0.00 0.00 179.01 179.89 2p7c h LEU 12 N -0.48 0.99 -1.40 1.64 6.46 -1.40 -2.76 115.31 118.37 2p7c h LEU 12 Ca -0.03 -0.11 0.18 0.00 -0.12 0.00 0.00 57.88 57.80 2p7c h LEU 12 Cb 0.37 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 39.97 2p7c h LEU 12 CO 0.04 0.82 0.58 -0.33 -0.62 0.00 0.00 178.44 178.94 2p7c h GLU 13 N 1.09 0.51 0.35 1.25 5.08 -1.03 0.17 114.58 122.00 2p7c h GLU 13 Ca 0.27 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2p7c h GLU 13 Cb 0.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2p7c h GLU 13 CO -0.04 0.34 -0.17 0.28 -1.00 0.00 0.00 179.01 178.42 2p7c h VAL 14 N 0.53 0.23 -0.85 3.13 2.07 -1.50 -3.30 116.25 116.55 2p7c h VAL 14 Ca 0.47 -0.72 0.22 0.00 0.82 0.00 0.00 66.70 67.49 2p7c h VAL 14 Cb 0.98 0.37 -0.14 0.00 -1.52 0.00 0.00 31.29 30.99 2p7c h VAL 14 CO -0.20 0.06 0.21 0.24 0.02 0.00 0.00 177.57 177.89 2p7c h MET 15 N -1.06 0.20 -0.61 1.57 2.86 -1.18 0.51 114.93 117.23 2p7c h MET 15 Ca -0.05 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.70 2p7c h MET 15 Cb 0.45 -0.05 -0.12 0.00 0.06 0.00 0.00 31.60 31.95 2p7c h MET 15 CO 0.08 0.13 -0.15 -0.22 1.06 0.00 0.00 176.91 177.81 2p7c h LYS 16 N 0.21 0.00 -0.09 1.72 3.64 -1.09 0.20 116.57 121.17 2p7c h LYS 16 Ca 0.52 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.88 2p7c h LYS 16 Cb 1.03 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2p7c h LYS 16 CO -0.64 0.00 -0.04 0.28 -2.27 0.00 0.00 179.45 176.78 2p7c h VAL 17 N 0.00 1.32 -1.00 2.00 2.07 -0.99 -3.24 116.25 116.42 2p7c h VAL 17 Ca 0.29 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.82 2p7c h VAL 17 Cb 0.44 1.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 2p7c h VAL 17 CO -0.62 0.30 0.64 0.40 0.02 0.00 0.00 177.57 178.31 2p7c h ILE 18 N -0.19 1.07 0.00 4.57 2.04 -0.94 -1.89 117.51 122.17 2p7c h ILE 18 Ca 0.02 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2p7c h ILE 18 Cb 0.49 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2p7c h ILE 18 CO 0.01 0.21 -0.10 -0.50 0.00 0.00 0.00 178.15 177.77 2p7c h TRP 19 N 1.15 0.00 -0.12 1.37 6.55 -0.64 -2.62 115.95 121.65 2p7c h TRP 19 Ca 0.44 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.23 2p7c h TRP 19 Cb 0.20 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 2p7c h TRP 19 CO -0.00 0.10 -0.12 0.87 -1.05 0.00 0.00 178.44 178.24 2p7c h LYS 20 N 0.00 0.29 -7.16 0.49 1.79 -1.38 -3.45 116.57 107.15 2p7c h LYS 20 Ca -0.00 -0.16 -0.50 0.00 -2.18 0.00 0.00 60.65 57.81 2p7c h LYS 20 Cb 0.37 0.01 0.08 0.00 -1.58 0.00 0.00 32.23 31.11 2p7c h LYS 20 CO 0.01 0.70 0.39 -1.58 -1.08 0.00 0.00 179.45 177.89 2p7c s HIS 21 N -4.26 2.72 0.07 -1.35 2.46 -0.99 -4.99 115.29 108.95 2p7c s HIS 21 Ca -0.14 1.54 -0.36 0.00 0.47 0.00 0.00 55.06 56.57 2p7c s HIS 21 Cb 0.04 -3.16 -0.20 0.00 -0.13 0.00 0.00 32.58 29.13 2p7c s HIS 21 CO 0.74 -1.50 1.59 1.03 -2.47 0.00 0.00 174.74 174.12 2p7c h SER 22 N 0.48 -1.05 -0.28 9.88 0.87 -1.87 -3.46 113.55 118.13 2p7c h SER 22 Ca -0.48 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2p7c h SER 22 Cb 1.24 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2p7c h SER 22 CO 0.56 -0.73 0.00 -1.20 -0.53 0.00 0.00 176.83 174.93 2p7c n SER 23 N -5.61 0.57 -3.73 6.23 7.64 -1.26 -4.90 113.62 112.56 2p7c n SER 23 Ca -0.16 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.60 2p7c n SER 23 Cb 0.48 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.58 2p7c n SER 23 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2p7c s ILE 24 N 0.83 -0.01 -0.11 0.44 2.07 -1.14 -4.87 121.20 118.40 2p7c s ILE 24 Ca 0.00 0.02 -0.13 0.00 -1.41 0.00 0.00 60.65 59.13 2p7c s ILE 24 Cb 0.00 -0.56 -0.05 0.00 0.13 0.00 0.00 42.46 41.99 2p7c s ILE 24 CO 0.00 0.01 0.29 0.54 -1.91 0.00 0.00 174.94 173.87 2p7c s ASN 25 N 0.45 6.52 0.50 4.50 2.20 -1.25 -1.11 114.94 126.73 2p7c s ASN 25 Ca -0.02 0.61 0.37 0.00 -0.94 0.00 0.00 52.86 52.88 2p7c s ASN 25 Cb -0.04 -2.18 1.54 0.00 -2.00 0.00 0.00 41.25 38.57 2p7c s ASN 25 CO -0.02 0.22 1.65 0.74 -2.94 0.00 0.00 177.10 176.75 2p7c h THR 26 N 4.31 0.16 -0.85 0.54 2.02 -1.99 0.15 112.91 117.24 2p7c h THR 26 Ca -0.46 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 66.73 2p7c h THR 26 Cb 1.19 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 2p7c h THR 26 CO 0.69 0.01 0.55 -1.13 0.37 0.00 0.00 175.52 176.01 2p7c h ASN 27 N 0.06 0.91 0.03 4.18 -0.73 -1.95 0.39 115.58 118.48 2p7c h ASN 27 Ca 0.80 -0.01 -0.17 0.00 1.87 0.00 0.00 56.30 58.79 2p7c h ASN 27 Cb 2.85 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 41.23 2p7c h ASN 27 CO -0.20 0.63 -0.59 -0.33 -0.37 0.00 0.00 177.43 176.56 2p7c h GLU 28 N 1.07 0.57 0.33 6.67 4.39 -1.11 0.15 114.58 126.65 2p7c h GLU 28 Ca 0.34 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2p7c h GLU 28 Cb 0.00 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2p7c h GLU 28 CO -0.11 1.00 -0.16 -0.24 -1.16 0.00 0.00 179.01 178.33 2p7c h VAL 29 N 0.42 0.64 0.24 3.13 3.04 -1.28 -1.79 116.25 120.65 2p7c h VAL 29 Ca -0.00 -0.61 -0.01 0.00 -1.01 0.00 0.00 66.70 65.07 2p7c h VAL 29 Cb 1.15 0.93 -0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2p7c h VAL 29 CO 0.11 0.11 -0.13 0.40 -1.01 0.00 0.00 177.57 177.05 2p7c h ILE 30 N -0.80 0.72 -0.94 3.17 2.04 -1.02 0.73 117.51 121.41 2p7c h ILE 30 Ca -0.04 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.07 2p7c h ILE 30 Cb 0.52 0.72 -0.14 0.00 -0.74 0.00 0.00 36.82 37.18 2p7c h ILE 30 CO 0.07 0.00 0.45 0.50 0.00 0.00 0.00 178.15 179.17 2p7c h LYS 31 N -0.35 0.36 0.00 2.37 1.63 -0.72 0.07 116.57 119.92 2p7c h LYS 31 Ca -0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2p7c h LYS 31 Cb 0.28 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2p7c h LYS 31 CO 0.04 0.24 -0.12 1.49 -3.45 0.00 0.00 179.45 177.64 2p7c h GLU 32 N 0.37 0.00 -0.77 1.90 4.57 -0.91 -3.36 114.58 116.38 2p7c h GLU 32 Ca 0.63 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.80 2p7c h GLU 32 Cb 1.29 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.84 2p7c h GLU 32 CO -0.57 0.00 0.44 -0.07 -1.18 0.00 0.00 179.01 177.63 2p7c h LEU 33 N -0.84 0.94 -1.53 1.64 -0.00 -0.83 -2.76 115.31 111.93 2p7c h LEU 33 Ca 0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 57.88 57.76 2p7c h LEU 33 Cb 0.12 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 2p7c h LEU 33 CO 0.00 0.74 -0.24 -1.28 -0.00 0.00 0.00 178.44 177.66 2p7c h SER 34 N 1.07 0.00 0.06 -0.43 0.87 -1.16 0.13 113.55 114.09 2p7c h SER 34 Ca 0.27 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.73 2p7c h SER 34 Cb -0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2p7c h SER 34 CO -0.05 0.24 -0.43 0.11 -0.53 0.00 0.00 176.83 176.18 2p7c h LYS 35 N 0.00 0.19 0.27 2.24 1.57 -1.64 -3.39 116.57 115.81 2p7c h LYS 35 Ca -0.00 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 2p7c h LYS 35 Cb 0.50 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2p7c h LYS 35 CO 0.03 1.09 -0.13 1.79 -0.57 0.00 0.00 179.45 181.66 2p7c h THR 36 N -0.57 0.50 -2.90 -0.16 1.35 -1.41 -3.46 112.91 106.26 2p7c h THR 36 Ca -0.07 -0.87 -0.47 0.00 -0.55 0.00 0.00 66.41 64.45 2p7c h THR 36 Cb 1.28 0.82 0.02 0.00 -1.73 0.00 0.00 68.15 68.54 2p7c h THR 36 CO 0.08 0.12 -0.10 -0.44 -0.25 0.00 0.00 175.52 174.94 2p7c s SER 37 N -5.22 6.07 0.06 5.36 0.01 0.45 -5.04 113.70 115.38 2p7c s SER 37 Ca -0.11 0.45 -0.34 0.00 1.31 0.00 0.00 55.95 57.26 2p7c s SER 37 Cb 0.01 -1.83 -0.19 0.00 0.21 0.00 0.00 66.02 64.21 2p7c s SER 37 CO 0.39 -0.53 1.55 0.71 0.41 0.00 0.00 173.24 175.77 2p7c h THR 38 N 0.50 0.18 0.00 1.44 1.35 -1.82 -3.39 112.91 111.17 2p7c h THR 38 Ca -0.48 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2p7c h THR 38 Cb 1.23 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2p7c h THR 38 CO 0.60 0.00 0.00 0.79 -0.25 0.00 0.00 175.52 176.66 2p7c n TRP 39 N -5.55 0.00 -1.28 4.73 8.01 -1.26 -4.92 117.44 117.17 2p7c n TRP 39 Ca -0.15 0.00 -0.32 0.00 -1.31 0.00 0.00 57.50 55.73 2p7c n TRP 39 Cb 0.44 0.00 0.09 0.00 -2.01 0.00 0.00 31.31 29.83 2p7c n TRP 39 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2p7c s SER 40 N 0.00 4.34 0.29 -0.99 0.15 -1.26 -4.47 113.70 111.76 2p7c s SER 40 Ca 0.00 1.96 0.03 0.00 0.70 0.00 0.00 55.95 58.65 2p7c s SER 40 Cb 0.00 -2.54 0.70 0.00 -1.71 0.00 0.00 66.02 62.47 2p7c s SER 40 CO 0.00 -2.15 1.72 -0.65 1.20 0.00 0.00 173.24 173.36 2p7c h PRO 41 N -0.94 0.49 -0.61 5.44 0.11 -1.95 -0.80 132.00 133.74 2p7c h PRO 41 Ca -0.44 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2p7c h PRO 41 Cb 1.25 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2p7c h PRO 41 CO 0.50 0.32 0.03 0.87 -0.21 0.00 0.00 178.00 179.51 2p7c h LYS 42 N 0.50 1.07 -0.35 1.05 1.57 -2.00 -2.06 116.57 116.35 2p7c h LYS 42 Ca 0.55 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2p7c h LYS 42 Cb 0.96 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2p7c h LYS 42 CO -0.47 1.03 0.22 1.15 -0.57 0.00 0.00 179.45 180.81 2p7c h THR 43 N 0.97 1.07 0.68 -0.16 2.02 -1.53 -3.04 112.91 112.92 2p7c h THR 43 Ca 0.18 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2p7c h THR 43 Cb 0.53 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2p7c h THR 43 CO 0.03 0.08 -0.33 0.40 0.37 0.00 0.00 175.52 176.07 2p7c h ILE 44 N 0.46 0.00 -1.40 3.11 2.04 -1.12 -2.85 117.51 117.75 2p7c h ILE 44 Ca 0.13 0.00 0.44 0.00 1.00 0.00 0.00 64.86 66.44 2p7c h ILE 44 Cb -0.04 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.93 2p7c h ILE 44 CO -0.04 0.00 0.93 1.56 0.00 0.00 0.00 178.15 180.60 2p7c h GLN 45 N -0.92 0.08 0.00 2.37 4.20 -1.39 0.18 115.11 119.63 2p7c h GLN 45 Ca -0.09 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.43 2p7c h GLN 45 Cb 0.71 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 2p7c h GLN 45 CO 0.15 0.05 -1.06 1.15 -0.67 0.00 0.00 178.83 178.45 2p7c h THR 46 N 0.08 1.03 -0.47 -0.54 2.02 -1.48 -3.28 112.91 110.27 2p7c h THR 46 Ca 0.81 -2.61 0.08 0.00 0.77 0.00 0.00 66.41 65.47 2p7c h THR 46 Cb 2.69 2.46 -0.07 0.00 -1.74 0.00 0.00 68.15 71.49 2p7c h THR 46 CO -0.33 0.59 0.04 0.24 0.37 0.00 0.00 175.52 176.43 2p7c h MET 47 N 0.00 0.15 -0.58 6.66 2.86 -0.39 -1.75 114.93 121.89 2p7c h MET 47 Ca -0.09 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2p7c h MET 47 Cb 1.65 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 33.23 2p7c h MET 47 CO 0.08 0.10 0.33 -0.07 1.06 0.00 0.00 176.91 178.41 2p7c h LEU 48 N 0.16 0.51 -0.78 1.22 -0.00 -1.66 -3.23 115.31 111.54 2p7c h LEU 48 Ca 0.23 0.02 0.14 0.00 -0.00 0.00 0.00 57.88 58.27 2p7c h LEU 48 Cb 0.33 -0.09 -0.14 0.00 -0.00 0.00 0.00 40.66 40.76 2p7c h LEU 48 CO -0.35 0.35 -0.31 0.25 -0.00 0.00 0.00 178.44 178.38 2p7c h LEU 49 N 0.64 -1.12 -0.39 1.67 5.85 -1.37 -0.46 115.31 120.13 2p7c h LEU 49 Ca 0.24 0.26 -0.16 0.00 0.84 0.00 0.00 57.88 59.07 2p7c h LEU 49 Cb 0.09 0.61 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2p7c h LEU 49 CO -0.13 -0.29 -0.36 0.03 -0.34 0.00 0.00 178.44 177.35 2p7c h ARG 50 N -0.07 0.94 -0.72 1.25 2.47 -1.58 -2.08 114.38 114.60 2p7c h ARG 50 Ca 0.31 -0.48 0.14 0.00 -1.26 0.00 0.00 59.98 58.69 2p7c h ARG 50 Cb 0.58 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.87 2p7c h ARG 50 CO -0.82 1.14 0.48 -0.07 0.56 0.00 0.00 179.97 181.26 2p7c h LEU 51 N 0.76 0.38 -0.62 3.04 4.07 -1.38 0.28 115.31 121.85 2p7c h LEU 51 Ca 0.07 0.02 -0.14 0.00 0.08 0.00 0.00 57.88 57.91 2p7c h LEU 51 Cb 0.95 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 2p7c h LEU 51 CO 0.09 0.21 -0.65 0.40 -1.08 0.00 0.00 178.44 177.40 2p7c h ILE 52 N 0.41 1.40 0.08 1.22 2.04 -0.65 0.39 117.51 122.40 2p7c h ILE 52 Ca 0.35 -2.29 -0.11 0.00 1.00 0.00 0.00 64.86 63.80 2p7c h ILE 52 Cb 0.78 2.26 0.01 0.00 -0.74 0.00 0.00 36.82 39.13 2p7c h ILE 52 CO -0.11 0.64 -0.49 0.50 0.00 0.00 0.00 178.15 178.69 2p7c h LYS 53 N 0.00 0.20 0.00 2.37 3.64 -0.36 -3.36 116.57 119.07 2p7c h LYS 53 Ca -0.01 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2p7c h LYS 53 Cb 1.21 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2p7c h LYS 53 CO 0.09 1.13 -0.55 0.87 -2.27 0.00 0.00 179.45 178.71 2p7c h LYS 54 N -0.56 0.00 0.00 1.90 1.57 -0.61 -3.49 116.57 115.38 2p7c h LYS 54 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2p7c h LYS 54 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2p7c h LYS 54 CO 0.09 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.38 2p7c n GLY 55 N 1.24 1.15 0.09 3.86 0.00 0.71 -4.81 105.19 107.42 2p7c n GLY 55 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2p7c n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p7c h ALA 56 N 0.00 -0.09 -1.84 4.61 0.00 -0.72 -3.43 119.26 117.79 2p7c h ALA 56 Ca 0.00 -0.21 -0.59 0.00 0.00 0.00 0.00 54.91 54.11 2p7c h ALA 56 Cb 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 2p7c h ALA 56 CO 0.00 -0.34 -0.60 -0.51 0.00 0.00 0.00 179.25 177.80 2p7c s LEU 57 N -9.36 2.97 -0.02 0.00 1.02 -1.13 -1.77 118.68 110.39 2p7c s LEU 57 Ca -0.15 -1.07 -0.01 0.00 0.02 0.00 0.00 54.13 52.92 2p7c s LEU 57 Cb 0.02 -1.28 0.02 0.00 0.02 0.00 0.00 46.19 44.97 2p7c s LEU 57 CO 0.63 -0.31 0.05 0.21 0.02 0.00 0.00 176.35 176.96 2p7c s ASN 58 N -3.74 -0.01 0.15 2.29 2.47 -0.86 -3.72 114.94 111.53 2p7c s ASN 58 Ca 0.36 0.10 -0.06 0.00 0.42 0.00 0.00 52.86 53.67 2p7c s ASN 58 Cb 0.02 0.04 -0.06 0.00 -1.45 0.00 0.00 41.25 39.80 2p7c s ASN 58 CO 0.19 -0.08 0.41 -1.38 -3.72 0.00 0.00 177.10 172.53 2p7c s HIS 59 N 0.62 3.48 -0.12 0.43 -3.43 -1.26 -0.95 115.29 114.05 2p7c s HIS 59 Ca -0.05 0.65 -0.05 0.00 -0.80 0.00 0.00 55.06 54.81 2p7c s HIS 59 Cb -0.07 -2.08 0.06 0.00 -1.43 0.00 0.00 32.58 29.06 2p7c s HIS 59 CO -0.02 0.41 0.24 -1.58 -2.00 0.00 0.00 174.74 171.79 2p7c s HIS 60 N -1.66 -0.37 -0.85 0.38 2.46 -0.82 -4.95 115.29 109.48 2p7c s HIS 60 Ca 0.41 0.88 -0.24 0.00 0.47 0.00 0.00 55.06 56.59 2p7c s HIS 60 Cb -0.12 -0.07 0.06 0.00 -0.13 0.00 0.00 32.58 32.32 2p7c s HIS 60 CO 0.23 -0.32 1.26 0.15 -2.47 0.00 0.00 174.74 173.59 2p7c s LYS 61 N 2.24 3.38 -0.73 2.88 1.02 -1.26 -0.99 119.74 126.28 2p7c s LYS 61 Ca 0.00 -0.89 -0.19 0.00 0.02 0.00 0.00 55.97 54.92 2p7c s LYS 61 Cb -0.12 -4.71 0.12 0.00 -0.52 0.00 0.00 37.83 32.60 2p7c s LYS 61 CO -0.08 -2.05 0.86 -2.00 -0.92 0.00 0.00 175.35 171.16 2p7c s GLU 62 N 4.70 3.29 0.53 1.68 2.56 -1.17 -4.89 118.70 125.40 2p7c s GLU 62 Ca 0.36 -1.55 0.00 0.00 0.00 0.00 0.00 54.97 53.78 2p7c s GLU 62 Cb -0.06 -4.46 0.00 0.00 2.00 0.00 0.00 34.13 31.61 2p7c s GLU 62 CO 0.02 -1.60 0.00 0.41 -0.56 0.00 0.00 175.26 173.52 2p7c n GLY 63 N 5.15 0.24 0.00 -1.50 0.00 -1.26 -3.32 105.19 104.50 2p7c n GLY 63 Ca 0.04 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2p7c n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p7c n ARG 64 N 0.00 0.00 -4.34 1.61 3.00 -1.26 -4.99 116.66 110.68 2p7c n ARG 64 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.65 2p7c n ARG 64 Cb 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 32.46 31.53 2p7c n ARG 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2p7c s VAL 65 N -0.68 0.41 0.48 1.55 -7.23 -1.21 -5.14 120.40 108.57 2p7c s VAL 65 Ca 0.00 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 2p7c s VAL 65 Cb 0.00 -2.54 -0.08 0.00 0.56 0.00 0.00 36.38 34.32 2p7c s VAL 65 CO 0.00 0.00 0.93 0.72 -0.31 0.00 0.00 175.10 176.44 2p7c s PHE 66 N -3.62 3.44 -0.02 2.82 -0.71 -1.26 -3.05 117.98 115.58 2p7c s PHE 66 Ca 0.36 1.40 0.06 0.00 -1.04 0.00 0.00 56.93 57.70 2p7c s PHE 66 Cb 0.06 -2.73 -0.01 0.00 -1.21 0.00 0.00 43.02 39.13 2p7c s PHE 66 CO 0.16 -0.28 -0.18 0.14 -1.34 0.00 0.00 175.22 173.72 2p7c s VAL 67 N -2.51 1.45 -0.25 -2.49 -7.23 -0.17 -3.96 120.40 105.24 2p7c s VAL 67 Ca 0.58 -0.78 -0.16 0.00 -1.81 0.00 0.00 61.98 59.80 2p7c s VAL 67 Cb -0.10 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2p7c s VAL 67 CO 0.29 0.41 0.43 -0.31 -0.31 0.00 0.00 175.10 175.61 2p7c s TYR 68 N -0.40 3.28 -0.36 2.82 2.02 -0.27 -1.94 117.35 122.50 2p7c s TYR 68 Ca 0.06 0.54 -0.13 0.00 -0.37 0.00 0.00 57.07 57.17 2p7c s TYR 68 Cb -0.07 -2.62 -0.00 0.00 -0.40 0.00 0.00 41.96 38.87 2p7c s TYR 68 CO -0.01 -0.20 0.25 0.95 -1.57 0.00 0.00 175.55 174.98 2p7c s THR 69 N 1.98 5.19 -0.36 -0.71 -4.23 -0.13 -2.90 115.64 114.48 2p7c s THR 69 Ca 0.18 -0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 60.01 2p7c s THR 69 Cb -0.15 -3.74 -0.08 0.00 1.34 0.00 0.00 72.50 69.87 2p7c s THR 69 CO 0.09 -0.10 2.30 -2.65 -0.54 0.00 0.00 174.62 173.72 2p7c n PRO 70 N 5.11 1.41 0.00 3.99 -0.02 -1.26 -2.03 135.00 142.20 2p7c n PRO 70 Ca -0.12 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.73 2p7c n PRO 70 Cb 0.49 -3.08 0.38 0.00 -0.02 0.00 0.00 33.50 31.27 2p7c n PRO 70 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2p7c n ASN 71 N 12.66 0.00 -4.52 2.55 5.15 -0.73 -4.69 115.26 125.68 2p7c n ASN 71 Ca 0.36 0.43 -0.33 0.00 -0.60 0.00 0.00 54.58 54.43 2p7c n ASN 71 Cb 0.42 -0.47 -0.12 0.00 -0.53 0.00 0.00 39.78 39.08 2p7c n ASN 71 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2p7c s ILE 72 N -2.93 3.37 0.09 -1.44 -0.00 -1.14 -4.89 121.20 114.26 2p7c s ILE 72 Ca 0.10 -0.60 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 2p7c s ILE 72 Cb 0.11 -2.36 0.00 0.00 -0.00 0.00 0.00 42.46 40.22 2p7c s ILE 72 CO 0.31 0.59 0.00 -0.67 -0.00 0.00 0.00 174.94 175.16 2p7c n ASP 73 N 2.40 -0.26 -0.29 4.36 2.03 -1.26 -4.66 116.55 118.88 2p7c n ASP 73 Ca -0.18 0.16 0.02 0.00 0.52 0.00 0.00 54.79 55.32 2p7c n ASP 73 Cb 0.53 0.36 0.22 0.00 -0.72 0.00 0.00 41.12 41.50 2p7c n ASP 73 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2p7c h GLU 74 N 0.00 1.05 0.00 -0.67 9.09 -2.00 -3.31 114.58 118.74 2p7c h GLU 74 Ca 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.35 2p7c h GLU 74 Cb 0.00 -0.24 0.00 0.00 -1.65 0.00 0.00 28.75 26.86 2p7c h GLU 74 CO 0.00 0.70 0.00 0.45 0.05 0.00 0.00 179.01 180.21 2p7c n SER 75 N -4.44 0.00 -3.91 3.06 2.88 -1.26 -4.98 113.62 104.97 2p7c n SER 75 Ca 0.11 0.34 -0.26 0.00 -1.33 0.00 0.00 58.87 57.73 2p7c n SER 75 Cb 0.11 -0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 63.14 2p7c n SER 75 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2p7c n ASP 76 N -1.87 -1.13 -1.45 -3.46 -0.08 -1.25 -4.38 116.55 102.94 2p7c n ASP 76 Ca 0.00 -1.01 0.00 0.00 -1.51 0.00 0.00 54.79 52.27 2p7c n ASP 76 Cb 0.00 -3.11 0.00 0.00 2.34 0.00 0.00 41.12 40.35 2p7c n ASP 76 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2p7c n TYR 77 N -4.38 -3.01 -3.99 -0.67 9.36 -1.26 -5.04 117.16 108.17 2p7c n TYR 77 Ca -0.28 1.82 -0.31 0.00 3.32 0.00 0.00 57.90 62.45 2p7c n TYR 77 Cb 0.67 -3.03 -0.15 0.00 -0.63 0.00 0.00 39.34 36.20 2p7c n TYR 77 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2p7c s ILE 78 N -0.31 1.93 -0.72 2.97 -1.09 -1.26 -5.08 121.20 117.64 2p7c s ILE 78 Ca 0.00 -1.80 -0.27 0.00 -2.23 0.00 0.00 60.65 56.35 2p7c s ILE 78 Cb 0.00 -2.27 0.02 0.00 -1.58 0.00 0.00 42.46 38.63 2p7c s ILE 78 CO 0.00 -0.34 1.44 -0.70 -1.23 0.00 0.00 174.94 174.11 2p7c s GLU 79 N 1.14 3.05 0.04 2.79 2.12 -1.26 -4.98 118.70 121.60 2p7c s GLU 79 Ca 0.02 -0.05 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 2p7c s GLU 79 Cb -0.19 -4.27 -0.05 0.00 0.26 0.00 0.00 34.13 29.88 2p7c s GLU 79 CO -0.09 -2.31 1.10 0.14 -0.54 0.00 0.00 175.26 173.56 2p7c s VAL 80 N 6.61 4.39 0.05 3.70 -7.23 -1.26 -5.01 120.40 121.65 2p7c s VAL 80 Ca 0.44 1.73 -0.28 0.00 -1.81 0.00 0.00 61.98 62.06 2p7c s VAL 80 Cb -0.09 -4.11 0.09 0.00 0.56 0.00 0.00 36.38 32.83 2p7c s VAL 80 CO 0.16 0.14 0.99 -1.59 -0.31 0.00 0.00 175.10 174.49 2p7c s LYS 81 N 0.98 0.89 0.00 4.82 -2.85 -1.26 -5.28 119.74 117.04 2p7c s LYS 81 Ca 0.55 -0.43 0.00 0.00 -1.00 0.00 0.00 55.97 55.09 2p7c s LYS 81 Cb -0.26 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.86 2p7c s LYS 81 CO 0.29 -0.40 0.00 0.45 0.10 0.00 0.00 175.35 175.79